SCHEMBL9715728

SCHEMBL9715728

C=C(c1ccccc1)c1cccc(CCC(=O)OC(C)CC)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.43
TDP1 Q9NUW8 3/20 0.43
RAB9A P51151 1/20 0.43
FAAH O00519 2/20 0.39
PPARG P37231 1/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 3/20 0.38
ALDH1A1 P00352 3/20 0.38
TSHR P16473 1/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP4F2 P78329 2/20 0.37
CYP4A11 Q02928 2/20 0.37
AKR1C3 P42330 2/20 0.37
TP53 P04637 1/20 0.37
PKM P14618 1/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9715713 0.82 SIRT2 (0.49) L3MBTL1TDP1RAB9APPARGKMT2A
SCHEMBL16573165 0.76 TDP1 (0.64) TDP1FAAHMAPTALDH1A1CYP4F2
SCHEMBL9633429 0.75 PTGS2 (0.51) TDP1MAPTALDH1A1KDM4ESMN1; SMN2
SCHEMBL12802141 0.74 KAT6A (0.49) KMT2ACYP4F2CYP4A11MEN1
SCHEMBL22474206 0.72 TDP1 (0.58) TDP1RAB9AFAAHKMT2AALDH1A1
SCHEMBL24925669 0.72 TDP1 (0.53) TDP1FAAHKMT2AALDH1A1TSHR
SCHEMBL12802095 0.71 LPL (0.45) PPARGCYP4F2CYP4A11
SCHEMBL16672873 0.71 TDP1 (0.45) TDP1FAAHKMT2AMAPTALDH1A1
SCHEMBL2241152 0.71 TSHR (0.71) L3MBTL1FAAHMAPTALDH1A1TSHR
SCHEMBL11139024 0.71 ALDH1A1 (0.51) L3MBTL1TDP1KMT2AMAPTALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0304495-B1 PROCESS FOR SELECTIVELY MONOHYDROESTERIFYING DIOLEFIN NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1992-05-27 EP disclosed
US-4908473-A Reacting a (1-arylethenyl)vinylbenzene with carbon monoxide and water or alcohol in the presence of carbonylation catalyst NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1990-03-13 US disclosed
EP-0304495-A1 PROCESS FOR SELECTIVELY MONOHYDROESTERIFYING DIOLEFIN NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1989-03-01 EP disclosed